2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide

C131H159BrF4N30O15 — CID 161079848

IUPAC2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide
SMILESC#Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(C)(F)F)cn12.COc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.C[C@H]1CCN(C(=O)OCc2cccc3nnc([C@@H](COCc4ccccc4)NC(=O)C(C)(C)N)n23)C1.Cc1cc(C(C)(F)F)cc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)C)c1nnc2ccc(Br)cn12
InChIInChI=1S/C26H34N6O4.C22H27F2N5O2.C21H25BrN4O2.C21H25F2N5O2.C21H23N5O2.C20H25N5O3/c1-18-12-13-31(14-18)25(34)36-16-20-10-7-11-22-29-30-23(32(20)22)21(28-24(33)26(2,3)27)17-35-15-19-8-5-4-6-9-19;1-14-10-16(22(4,23)24)11-18-27-28-19(29(14)18)17(26-20(30)21(2,3)25)13-31-12-15-8-6-5-7-9-15;1-14-7-5-6-8-15(14)12-28-13-17(23-20(27)21(2,3)4)19-25-24-18-10-9-16(22)11-26(18)19;1-20(2,24)19(29)25-16(13-30-12-14-7-5-4-6-8-14)18-27-26-17-10-9-15(11-28(17)18)21(3,22)23;1-4-15-10-11-18-24-25-19(26(18)12-15)17(23-20(27)21(2,3)22)14-28-13-16-8-6-5-7-9-16;1-20(2,21)19(26)22-16(13-28-12-14-7-5-4-6-8-14)18-24-23-17-10-9-15(27-3)11-25(17)18/h4-11,18,21H,12-17,27H2,1-3H3,(H,28,33);5-11,17H,12-13,25H2,1-4H3,(H,26,30);5-11,17H,12-13H2,1-4H3,(H,23,27);4-11,16H,12-13,24H2,1-3H3,(H,25,29);1,5-12,17H,13-14,22H2,2-3H3,(H,23,27);4-11,16H,12-13,21H2,1-3H3,(H,22,26)/t18-,21+;2*17-;16-;17-;16-/m011111/s1
InChIKeyUFTQNSTWJAKOGN-BVOOBMCGSA-N
MW2549.80 g/mol
LogP16.92
Rot. Bonds46

About 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide

2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide (PubChem CID 161079848) has the molecular formula C131H159BrF4N30O15 and a molecular weight of 2549.80 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide
PubChem CID161079848
Molecular FormulaC131H159BrF4N30O15
Molecular Weight2549.80 g/mol
Exact Mass2547.17
IUPAC Name2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide
SMILESC#Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(C)(F)F)cn12.COc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.C[C@H]1CCN(C(=O)OCc2cccc3nnc([C@@H](COCc4ccccc4)NC(=O)C(C)(C)N)n23)C1.Cc1cc(C(C)(F)F)cc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)C)c1nnc2ccc(Br)cn12
InChIInChI=1S/C26H34N6O4.C22H27F2N5O2.C21H25BrN4O2.C21H25F2N5O2.C21H23N5O2.C20H25N5O3/c1-18-12-13-31(14-18)25(34)36-16-20-10-7-11-22-29-30-23(32(20)22)21(28-24(33)26(2,3)27)17-35-15-19-8-5-4-6-9-19;1-14-10-16(22(4,23)24)11-18-27-28-19(29(14)18)17(26-20(30)21(2,3)25)13-31-12-15-8-6-5-7-9-15;1-14-7-5-6-8-15(14)12-28-13-17(23-20(27)21(2,3)4)19-25-24-18-10-9-16(22)11-26(18)19;1-20(2,24)19(29)25-16(13-30-12-14-7-5-4-6-8-14)18-27-26-17-10-9-15(11-28(17)18)21(3,22)23;1-4-15-10-11-18-24-25-19(26(18)12-15)17(23-20(27)21(2,3)22)14-28-13-16-8-6-5-7-9-16;1-20(2,21)19(26)22-16(13-28-12-14-7-5-4-6-8-14)18-24-23-17-10-9-15(27-3)11-25(17)18/h4-11,18,21H,12-17,27H2,1-3H3,(H,28,33);5-11,17H,12-13,25H2,1-4H3,(H,26,30);5-11,17H,12-13H2,1-4H3,(H,23,27);4-11,16H,12-13,24H2,1-3H3,(H,25,29);1,5-12,17H,13-14,22H2,2-3H3,(H,23,27);4-11,16H,12-13,21H2,1-3H3,(H,22,26)/t18-,21+;2*17-;16-;17-;16-/m011111/s1
InChIKeyUFTQNSTWJAKOGN-BVOOBMCGSA-N
XLogP16.92
TPSA579.99 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002549.80
LogP ≤ 516.92
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide (CID 161079848) is 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide is C#Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(C)(F)F)cn12.COc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.C[C@H]1CCN(C(=O)OCc2cccc3nnc([C@@H](COCc4ccccc4)NC(=O)C(C)(C)N)n23)C1.Cc1cc(C(C)(F)F)cc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)C)c1nnc2ccc(Br)cn12.
What is the InChIKey of 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide?
The InChIKey is UFTQNSTWJAKOGN-BVOOBMCGSA-N. The full InChI is InChI=1S/C26H34N6O4.C22H27F2N5O2.C21H25BrN4O2.C21H25F2N5O2.C21H23N5O2.C20H25N5O3/c1-18-12-13-31(14-18)25(34)36-16-20-10-7-11-22-29-30-23(32(20)22)21(28-24(33)26(2,3)27)17-35-15-19-8-5-4-6-9-19;1-14-10-16(22(4,23)24)11-18-27-28-19(29(14)18)17(26-20(30)21(2,3)25)13-31-12-15-8-6-5-7-9-15;1-14-7-5-6-8-15(14)12-28-13-17(23-20(27)21(2,3)4)19-25-24-18-10-9-16(22)11-26(18)19;1-20(2,24)19(29)25-16(13-30-12-14-7-5-4-6-8-14)18-27-26-17-10-9-15(11-28(17)18)21(3,22)23;1-4-15-10-11-18-24-25-19(26(18)12-15)17(23-20(27)21(2,3)22)14-28-13-16-8-6-5-7-9-16;1-20(2,21)19(26)22-16(13-28-12-14-7-5-4-6-8-14)18-24-23-17-10-9-15(27-3)11-25(17)18/h4-11,18,21H,12-17,27H2,1-3H3,(H,28,33);5-11,17H,12-13,25H2,1-4H3,(H,26,30);5-11,17H,12-13H2,1-4H3,(H,23,27);4-11,16H,12-13,24H2,1-3H3,(H,25,29);1,5-12,17H,13-14,22H2,2-3H3,(H,23,27);4-11,16H,12-13,21H2,1-3H3,(H,22,26)/t18-,21+;2*17-;16-;17-;16-/m011111/s1.
What are the key properties of 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide?
2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide has a molecular weight of 2549.80 g/mol, XLogP of 16.92, 46 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 161079848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).